[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C23H25N5O2 — CID 90411590

IUPAC[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1
InChIInChI=1S/C23H25N5O2/c1-15-12-25-27(13-15)20-8-6-16(2)26-22(20)23(29)28-18-7-9-19(28)17(11-18)14-30-21-5-3-4-10-24-21/h3-6,8,10,12-13,17-19H,7,9,11,14H2,1-2H3
InChIKeyYSDIXCHHZKLAIF-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.35
Rot. Bonds5

About [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90411590) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90411590
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1
InChIInChI=1S/C23H25N5O2/c1-15-12-25-27(13-15)20-8-6-16(2)26-22(20)23(29)28-18-7-9-19(28)17(11-18)14-30-21-5-3-4-10-24-21/h3-6,8,10,12-13,17-19H,7,9,11,14H2,1-2H3
InChIKeyYSDIXCHHZKLAIF-UHFFFAOYSA-N
XLogP3.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Related Compounds

CID 25127493
CID 25127493
CID 58488153
CID 58488153
CID 86291877
CID 86291877
CID 71527606
CID 71527606
CID 118736952
CID 118736952
CID 145964978
CID 145964978
CID 59396037
CID 59396037
CID 90411501
CID 90411501
CID 90411503
CID 90411503
CID 90411862
CID 90411862
CID 90411864
CID 90411864
CID 90411980
CID 90411980

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90411590) is [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1.
What is the InChIKey of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is YSDIXCHHZKLAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-12-25-27(13-15)20-8-6-16(2)26-22(20)23(29)28-18-7-9-19(28)17(11-18)14-30-21-5-3-4-10-24-21/h3-6,8,10,12-13,17-19H,7,9,11,14H2,1-2H3.
What are the key properties of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 403.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90411590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).